4-bromo-3-ethoxy-N-propylbenzenesulfonamide

C11H16BrNO3S — CID 6473509

IUPAC4-bromo-3-ethoxy-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(Br)c(OCC)c1
InChIInChI=1S/C11H16BrNO3S/c1-3-7-13-17(14,15)9-5-6-10(12)11(8-9)16-4-2/h5-6,8,13H,3-4,7H2,1-2H3
InChIKeyUQERFUZKXUAEMT-UHFFFAOYSA-N
MW322.22 g/mol
LogP2.54
Rot. Bonds6

About 4-bromo-3-ethoxy-N-propylbenzenesulfonamide

4-bromo-3-ethoxy-N-propylbenzenesulfonamide (PubChem CID 6473509) has the molecular formula C11H16BrNO3S and a molecular weight of 322.22 g/mol. Its IUPAC name is 4-bromo-3-ethoxy-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-ethoxy-N-propylbenzenesulfonamide
PubChem CID6473509
Molecular FormulaC11H16BrNO3S
Molecular Weight322.22 g/mol
Exact Mass321.00
IUPAC Name4-bromo-3-ethoxy-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccc(Br)c(OCC)c1
InChIInChI=1S/C11H16BrNO3S/c1-3-7-13-17(14,15)9-5-6-10(12)11(8-9)16-4-2/h5-6,8,13H,3-4,7H2,1-2H3
InChIKeyUQERFUZKXUAEMT-UHFFFAOYSA-N
XLogP2.54
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.22
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-bromo-3-ethoxy-N-propylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-3-ethoxy-N-ethylbenzenesulfonamide
CID 39845206
4-bromo-3-ethoxy-N-prop-2-enylbenzenesulfonamide
CID 25252499
4-bromo-3-ethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 5312185
4-bromo-3-methyl-N-propylbenzenesulfonamide
CID 2439945
3-bromo-4-ethoxy-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 119973197
4-bromo-3-ethoxybenzenesulfonamide
CID 47000870
N-butyl-3,4-diethoxybenzenesulfonamide
CID 40747179
4-bromo-3-ethoxy-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 91758592
3-cyano-4-ethoxy-N-propylbenzenesulfonamide
CID 171134169
4-bromo-N-(2,4-dimethylphenyl)-3-ethoxybenzenesulfonamide
CID 39845518
4-bromo-3-ethoxy-N-(6-methyl-2-pyridinyl)benzenesulfonamide
CID 47071432
4-bromo-3-ethoxy-N-(4-methyl-2-pyridinyl)benzenesulfonamide
CID 165434224

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-ethoxy-N-propylbenzenesulfonamide?
The IUPAC name of 4-bromo-3-ethoxy-N-propylbenzenesulfonamide (CID 6473509) is 4-bromo-3-ethoxy-N-propylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-3-ethoxy-N-propylbenzenesulfonamide?
The canonical SMILES for 4-bromo-3-ethoxy-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1ccc(Br)c(OCC)c1.
What is the InChIKey of 4-bromo-3-ethoxy-N-propylbenzenesulfonamide?
The InChIKey is UQERFUZKXUAEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO3S/c1-3-7-13-17(14,15)9-5-6-10(12)11(8-9)16-4-2/h5-6,8,13H,3-4,7H2,1-2H3.
What are the key properties of 4-bromo-3-ethoxy-N-propylbenzenesulfonamide?
4-bromo-3-ethoxy-N-propylbenzenesulfonamide has a molecular weight of 322.22 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-ethoxy-N-propylbenzenesulfonamide is sourced from PubChem (CID 6473509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).